SCHEMBL12480010

SCHEMBL12480010

CN1CCc2[nH]c3ncccc3c2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.60
HTR6 P50406 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
DRD3 P35462 1/20 0.45
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CTSK P43235 1/20 0.43
HTR1A P08908 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24101593 0.90 KDM4E (0.47) CHRNA7HTR6KDM4ECYP1A2CYP2D6
SCHEMBL30063679 0.90 KDM4E (0.47) CHRNA7HTR6KDM4ECYP1A2CYP2D6
SCHEMBL12951268 0.88 KDM4E (0.60) CHRNA7HTR6KDM4ECYP1A2CYP2D6
SCHEMBL12950764 0.83 KDM4E (0.50) CHRNA7KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL3723994 0.77 CHRNA7 (0.60) CHRNA7HTR6L3MBTL1KDM4ESIRT2
SCHEMBL3724906 0.77 CHRNA7 (0.49) CHRNA7HTR6L3MBTL1KDM4ESIRT2
SCHEMBL8107160 0.76 ACHE (0.67) HTR6
SCHEMBL3715595 0.75 L3MBTL1 (0.57) CHRNA7HTR6L3MBTL1KDM4ESIRT2
SCHEMBL30324538 0.75 CHRNA7 (1.00) CHRNA7HTR6L3MBTL1KDM4ESIRT2
SCHEMBL168248 0.75 CHRNA7 (1.00) CHRNA7HTR6L3MBTL1KDM4ESIRT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-8815843-B2 Compounds and methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-26 US disclosed
US-8791132-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-29 US disclosed
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
EP-2675458-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION Medivation Technologies, Inc. (US) 2013-12-25 EP disclosed
EP-2675459-A1 COMPOUNDS AND METHODS OF TREATING DIABETES Medivation Technologies, Inc. (US) 2013-12-25 EP disclosed
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 WO disclosed
WO-2012112966-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 CHRNA7 640/4885HTR6 47/4885L3MBTL1 3727/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C CHRNA7 564/4885HTR6 88/4885L3MBTL1 4156/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 CHRNA7 640/4885HTR6 47/4885L3MBTL1 3727/4885
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 CHRNA7 640/4885HTR6 47/4885L3MBTL1 3727/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C CHRNA7 560/4885HTR6 85/4885L3MBTL1 4115/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.